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4-[(4-Methyl-phen-yl)amino]-pent-3-en-2-one.

ABSTRACT: The title enamino-ketone, C(12)H(15)NO, is a derivative of 4-(phenyl-amino)-pent-3-en-2-one with an approximately planar pentenone backbone, the greatest displacement from the plane being 0.042 (1) Å; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The dihedral angle between the benzene ring and the pentenone plane is 29.90 (4)°. In the crystal, an intra-molecular N-H⋯O inter-action and an inter-molecular C-H⋯O hydrogen bond are observed.

SUBMITTER: Venter GJ

PROVIDER: S-EPMC3009096 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(1E)-1-[4-(Dimethyl-amino)phen-yl]pent-1-en-3-one.

Project description:The title mol-ecule, C(13)H(17)NO, is close to planar: the dihedral angle betweent the dimethyl amino group and the benzene ring is 7.94 (19)°. No significant inter-molecular inter-actions are observed in the crystal structure.

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3-(4-Bromo-phen-yl)cyclo-pent-2-en-1-one.

Project description:In the title compound, C11H9BrO, the cyclo-pentenone ring is almost planar with an r.m.s. deviation of 0.0097?Å. The largest inter-ring torsion angles [2.4?(3), 1.3?(3) and 3.53?(2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The mol-ecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3?(1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of mol-ecules that pack side-to-side with the same relative orientation of phenyl and cyclo-pentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face inter-actions exist between pairs of sheets with edge-to-edge and edge-to-face O?H-C(sp (2)) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77?Å) also exists between pairs of sheets.

| S-EPMC4051020 | biostudies-literature

(E)-3-[4-(Dimethyl-amino)phen-yl]-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(19)NO, the dihedral angle between 4-methyl-phenyl and 4-(dimethyl-amino)phenyl rings is 45.5?(3)°. The C-C=C-C torsion angle of 173.8?(3)° indicates that the mol-ecule adopts an E configuration. The dimethyl-amino group is nearly coplanar with the attached benzene ring, making a dihedral angle of 2.7?(3)°. Weak inter-molecular C-H?? inter-actions are observed in the crystal structure.

| S-EPMC2980133 | biostudies-literature

1-(2,4-Dichloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one.

Project description:In the title compound, C(13)H(14)Cl(2)O, the carbonyl and ethenyl groups are coplanar with the aromatic ring. There are four molecules in the asymmetric unit and all atoms in the molecule lie on mirror planes. The mol-ecules are packed in an offset face-to-face arrangement showing ?-? stacking inter-actions involving the benzene rings [centroid-centroid distance = 3.564?(2)?Å].

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1-(4-Chloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one.

Project description:In the title compound, C(13)H(15)ClO, the carbonyl and ethenyl groups are not coplanar with benzene ring system, forming dihedral angles of 35.37?(5) and 36.27?(11)°, respectively. The mol-ecules are packed in an offset face-to-face arrangement showing ?-? stacking inter-actions involving the benzene rings [centroid-centroid distance = 3.586?(4)?Å].

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4,4-Dimethyl-1-(3-nitro-phen-yl)pent-1-en-3-one.

Project description:All the non-hydrogen atoms except one methyl C atom of the title compound, C(13)H(15)NO(3), lie on a crystallographic mirror plane perpendicular to the b axis. The crystal packing is stabilized by two weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2969624 | biostudies-literature

3-Dimethyl-amino-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(12)H(15)NO, the C=C and C=O functional groups and the benzene ring are involved in an extended conjugated system. The mol-ecules are essentially planar with a maximal deviation from planarity for the non-H atoms of 0.062?(2)?Å.

| S-EPMC2980110 | biostudies-literature

2-[(4-Chloro-phen-yl)(2-hy-droxy-5-oxo-cyclo-pent-1-en-1-yl)meth-yl]-3-hy-droxy-cyclo-pent-2-en-1-one.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(17)H(15)ClO(4), in which the dihedral angles between the five-membered rings are 57.3?(1) and 51.4?(1)°. An intra-molecular O-H?O hydrogen bond occurs in each mol-ecule. In the crystal, O-H?O and C-H?O hydrogen bonds link the moleclues into chains along the b axis.

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(E)-3-[4-(Pent-yloxy)phen-yl]-1-phenyl-prop-2-en-1-one.

Project description:The title compound, C(20)H(22)O(2), crystallizes with two independent mol-ecules in the asymmetric unit. In each mol-ecule, all the non-H atoms lie in a common plane (r.m.s. deviations of 0.098 and 0.079?Å). There is a ?-? stacking inter-action in the crystal structure. The central aromatic rings of the two mol-ecules, which are stacked head-to-tail one above the other, are separated by centroid-to-centroid distances of 3.872?(13) and 3.999?(10)?Å.

| S-EPMC2969684 | biostudies-literature

Bis(4-methyl-N-{(2Z,4E)-4-[(4-methyl-phen-yl)imino]-pent-2-en-2-yl}anilinido)zinc.

Project description:The title compound, [Zn(C(19)H(21)N(2))(2)], appears to be the first example of a zinc complex supported by two ?-diketiminate (nacnac) ligands. This complex crystallizes with a distorted tetra-hedrally coordinated Zn(II) atom that diposes the two nacnac ligands approximately orthogonally to one another [angle between the two N-Zn-N mean planes is 89.91?(10)°], with average Zn-N bond lengths of 1.992?(4)?Å.

| S-EPMC3297283 | biostudies-literature

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